Molecule ID: mol6972

SMILES: C[S+]([O-])c1cccnn1

InChI: InChI=1S/C5H6N2OS/c1-9(8)5-3-2-4-6-7-5/h2-4H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.62 QSARToolbox 1 » 0
-0.62 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization